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Vibrational spectra and structure of perchlorinated metal‐free phthalocyanine and lutetium bisphthalocyanine
Author(s) -
GobernadoMitre I.,
Klassen B.,
Aroca R.,
DeSaja J. A.
Publication year - 1993
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.1250241213
Subject(s) - phthalocyanine , lutetium , raman spectroscopy , chemistry , infrared spectroscopy , molecule , spectral line , metal , infrared , far infrared , computational chemistry , organic chemistry , physics , optics , astronomy , yttrium , oxide
The infrared and Raman spectra of perchlorinated phthalocyanine (Pc), H 2 PcCl 16 , LuPc 2 Cl 32 and the unsymmetrical LuPc 2 Cl 16 are reported. The vibrational data set also include SERRS and the far‐infrared spectra between 100 and 400 cm −1 . The vibrational assignment of characteristic wavenumbers was supported by a semi‐empirical calculation using the PM3 Hamiltonian. The H 2 Pc molecule was used as a reference in the PM3 vibrational calculations. The effect of the chlorine substituents on the optical spectra of the phthalocyanine ring is examined.